SCHEMBL10059643

SCHEMBL10059643

CC(C)Oc1ccc(-n2c(=O)ccc3cc(C(=O)N(C)C(C)C)[nH]c32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.39
PTGES O14684 2/20 0.35
MAPK1 P28482 1/20 0.34
KMT2A Q03164 4/20 0.34
NPC1 O15118 1/20 0.33
GALR3 O60755 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
BRD4 O60885 1/20 0.32
BRPF1 P55201 1/20 0.32
PARP10 Q53GL7 1/20 0.32
MEN1 O00255 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TSPO P30536 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NTRK1 P04629 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10059679 0.91 BTK (0.40) BTKPTGESMAPK1KMT2ANPC1
SCHEMBL10059612 0.86 PTGES (0.41) BTKPTGESMAPK1KMT2AALDH1A1
SCHEMBL10059678 0.85 PARP10 (0.43) BTKPTGESMAPK1KMT2ANPC1
SCHEMBL10059637 0.85 SMN1; SMN2 (0.39) KMT2AHTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL10059672 0.83 BTK (0.39) BTKPTGESMAPK1KMT2ANPC1
SCHEMBL10059588 0.81 KMT2A (0.45) BTKKMT2ANPC1HTTRAB9A
SCHEMBL10059704 0.79 HRH4 (0.43) BTKKMT2ANPC1RAB9AMEN1
SCHEMBL10059566 0.79 HRH4 (0.51) NPC1RAB9A
SCHEMBL10059560 0.79 HRH3 (0.48) KMT2ASMN1; SMN2L3MBTL1MEN1ALDH1A1
SCHEMBL10059697 0.78 SMN1; SMN2 (0.47) KMT2AHTTRAB9ASMN1; SMN2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS UNIVERSITY OF MINNESOTA (US) 2012-01-19 US disclosed
US-20110218515-A1 Methods for Treating Acute Myocardial Infarctions and Associated Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 BTK 2766/4885PTGES 119/4885MAPK1 27/4885
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS MMP1, MMP8, CCL11 BTK 4569/4885PTGES 280/4885MAPK1 3659/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.